Geometry & MOs

Info

ID:

448993

PubChem CID:

135295023

Reduced:

NPO2H28C29 (1)

Stoich.:

ABC2D28E29 (1)

Weight, g/mol:

549.33955

ΔHf, kcal/mol:

73.01

Dipole, Da:

9.03

IP(EA), eV:

 -8.68(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3E)-2-[(E)-[2-benzhydryl-4-(4-but-1-en-3-yn-2-ylcyclohexa-2,4-dien-1-yl)cyclopent-3-en-1-ylidene]methyl]-4-methyl-3-(3-methylbut-2-en-2-yl)hexa-1,3,5-trien-1-amine

Drug info:

PubChemData

Smile

CC1=C=PC(=C1C2=CN=C3C(=C2)C=C(C=C3C4=CC=C(C=C4)C(=O)O)CC5CCCCC5)C

DOS

IR

Vibrations