Geometry & MOs

Info

ID:	196422
PubChem CID:	78821479
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-79.9
Dipole, Da:	5.75
IP(EA), eV:	-9.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-cyanophenyl)methylamino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CCC#N

DOS

IR

Vibrations