Geometry & MOs

Info

ID:	183035
PubChem CID:	76971073
Reduced:	ON2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	450.205576
ΔH_f, kcal/mol:	17.96
Dipole, Da:	6.42
IP(EA), eV:	-9.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H](C2=CC=NC=C2)[C@H](C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations