Geometry & MOs

Info

ID:

443012

PubChem CID:

135257408

Reduced:

SN4H36C51 (1)

Stoich.:

AB4C36D51 (1)

Weight, g/mol:

574.309647

ΔHf, kcal/mol:

201.12

Dipole, Da:

1.52

IP(EA), eV:

 -7.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(2,3-dihydroindol-1-yl)-5-(1,3-dimethyl-2,6-diphenyl-2,4-dihydropyrimidin-4-yl)phenyl]-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC1=C(C=C9)NC2=CC=CC=C2S1)C1=CC=CC=C14)C

DOS

IR

Vibrations