Geometry & MOs

Info

ID:	43436
PubChem CID:	10321294
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	2.31
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(3-nitrophenyl)-6-phenylpyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=C(NC1=O)CC2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations