Geometry & MOs

Info

ID:

320083

PubChem CID:

126658154

Reduced:

O3N8C43H54 (1)

Stoich.:

A3B8C43D54 (1)

Weight, g/mol:

299.2613

ΔHf, kcal/mol:

-64.85

Dipole, Da:

6.08

IP(EA), eV:

 -7.81(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,4E,6E)-3-ethylidene-7-(3-methylcyclopropen-1-yl)-N,4-dipropylnona-1,4,6-trien-2-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4C5=CC=C(C=C5)C(C)(C)C)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8)NC(=O)OC

DOS

IR

Vibrations