Geometry & MOs

Info

ID:	85051
PubChem CID:	49871464
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	1.05
IP(EA), eV:	-9.22(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1C[C@H]2CC[C@@]3(O2)[C@@H](CC[C@]3(C1)C)C(C)C

DOS

IR

Vibrations