Geometry & MOs

Info

ID:	305915
PubChem CID:	124974106
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	11.15
Dipole, Da:	5.77
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-4-[2-(4-methoxyanilino)pyridine-3-carbonyl]-2-phenylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=NN12)[C@H]3CCCCN3C(=O)C4=C(N=CC=C4)OC

DOS

IR

Vibrations