Geometry & MOs

Info

ID:	365215
PubChem CID:	127317063
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	1.66
IP(EA), eV:	-8.57(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC(C)C(=O)N3CCCCC3

DOS

IR

Vibrations