Geometry & MOs

Info

ID:	161613
PubChem CID:	57392137
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	7.98
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(ON=C1C)NC(=O)N2CCC3(CC2)CC(CO3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations