Geometry & MOs

Info

ID:	155229
PubChem CID:	56322914
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	446.15902
ΔH_f, kcal/mol:	31.05
Dipole, Da:	7.78
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[cyano-(3,4,5-trimethoxyphenyl)methyl]carbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(NC(=N1)C(=O)NC2=NC3=CC=CC=C3N2C4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations