Geometry & MOs

Info

ID:	238709
PubChem CID:	92765116
Reduced:	OSN4C19H30 (1)
Stoich.:	ABC4D19E30 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	2.6
IP(EA), eV:	-8.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C2=CC=CC=C2S1)CC(=O)NCCCN3CCN(CC3)C

DOS

IR

Vibrations