Geometry & MOs

Info

ID:	365016
PubChem CID:	127316666
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	1.95
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethylthiophen-2-yl)-(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=C(N=CC=C3)NC4=CC=CC=C4OC

DOS

IR

Vibrations