Geometry & MOs

Info

ID:	141065
PubChem CID:	52812121
Reduced:	ClNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-197.12
Dipole, Da:	3.56
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-N-(cyanomethyl)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCCC[C@@H]2C(=O)OCC)Cl)OC

DOS

IR

Vibrations