Geometry & MOs

Info

ID:	365002
PubChem CID:	127316652
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	3.96
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)thiophen-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN=C(S3)C

DOS

IR

Vibrations