Geometry & MOs

Info

ID:	179551
PubChem CID:	76496217
Reduced:	N6O6C19H30 (1)
Stoich.:	A6B6C19D30 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-176.39
Dipole, Da:	5.3
IP(EA), eV:	-9.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(cyclopropylmethylsulfonyl)ethyl]piperazin-2-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)CO)C(CCCN=C(N)N[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations