Geometry & MOs

Info

ID:	362819
PubChem CID:	127309614
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	362.150954
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	4.45
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3(CCCC3)C

DOS

IR

Vibrations