Geometry & MOs

Info

ID:	438890
PubChem CID:	135228650
Reduced:	N2O3C14H16 (2)
Stoich.:	A2B3C14D16 (2)
Weight, g/mol:	321.24565
ΔH_f, kcal/mol:	-186.34
Dipole, Da:	6.29
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[6-[4-(2-methylphenyl)pentan-2-yl]cyclohexa-2,4-dien-1-yl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)NCC(=O)OC)C(C)(C)C

DOS

IR

Vibrations