Geometry & MOs

Info

ID:	362539
PubChem CID:	127308154
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	5.57
IP(EA), eV:	-8.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)NC3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations