Geometry & MOs

Info

ID:	84162
PubChem CID:	49864682
Reduced:	SO4N6C20H32 (1)
Stoich.:	AB4C6D20E32 (1)
Weight, g/mol:	387.231063
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	3.38
IP(EA), eV:	-8.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N

DOS

IR

Vibrations