Geometry & MOs

Info

ID:	366621
PubChem CID:	127320150
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-88.79
Dipole, Da:	3.82
IP(EA), eV:	-8.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-(1,3-benzodioxole-4-carbonyl)-3-methylpiperazin-1-yl]-(1,3-benzodioxol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C2C(=CC=C1)OCO2)N3CCN(CC3)C

DOS

IR

Vibrations