Geometry & MOs

Info

ID:	126653
PubChem CID:	50971972
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	27.14
Dipole, Da:	7.0
IP(EA), eV:	-9.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S,3aS,6aR)-3-[2-(4-methylpiperazin-1-yl)phenyl]-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=NON=C1C2CCCN2CC(=O)N(CC=C)CC=C

DOS

IR

Vibrations