Geometry & MOs

Info

ID:	367587
PubChem CID:	127325076
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	8.46
IP(EA), eV:	-9.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CC=C5

DOS

IR

Vibrations