Geometry & MOs

Info

ID:	365028
PubChem CID:	127316678
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	4.34
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations