Geometry & MOs

Info

ID:	351774
PubChem CID:	127282174
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	6.15
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations