Geometry & MOs

Info

ID:	438895
PubChem CID:	135228655
Reduced:	N4O4C29H34 (1)
Stoich.:	A4B4C29D34 (1)
Weight, g/mol:	437.30825
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	3.28
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3E)-3-ethylidene-2,4-dimethylidene-6-[5-methyl-4-(3-methylphenyl)-2-(2,3,3-trimethylbutyl)phenyl]hept-5-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC4C(O4)C(=CN13)C(=O)O)OC)C5=CN=C(C=C5)N6CCNCC6

DOS

IR

Vibrations