Geometry & MOs

Info

ID:	365085
PubChem CID:	127316827
Reduced:	ClOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	4.15
IP(EA), eV:	-8.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations