Geometry & MOs

Info

ID:	203448
PubChem CID:	79831473
Reduced:	ClN2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	5.56
IP(EA), eV:	-10.0(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-chloro-2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations