Geometry & MOs

Info

ID:	245512
PubChem CID:	99453645
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	395.163377
ΔH_f, kcal/mol:	12.36
Dipole, Da:	8.67
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[methyl(naphthalen-2-ylmethyl)carbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3C[C@@H](C4=CC=CC=C4C3)C5=CC=CC=C5

DOS

IR

Vibrations