Geometry & MOs

Info

ID:	174117
PubChem CID:	75725669
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	5.14
IP(EA), eV:	-9.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)N(C1=CC(=CC=C1)Cl)C(C2=CC=CC=C2O)C(=O)NC(C)(C)C

DOS

IR

Vibrations