Geometry & MOs

Info

ID:	29261
PubChem CID:	832661
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	4.92
IP(EA), eV:	-9.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methylideneamino]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC(=O)C2[C@@H]3[C@@H]2CCCC3

DOS

IR

Vibrations