Geometry & MOs

Info

ID:	174097
PubChem CID:	75723877
Reduced:	ClN3O5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	449.187005
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	6.62
IP(EA), eV:	-9.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=CC=C2Cl)C(=O)COC

DOS

IR

Vibrations