Geometry & MOs

Info

ID:	363795
PubChem CID:	127313442
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	4.86
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations