Geometry & MOs

Info

ID:	365437
PubChem CID:	127317836
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	4.32
IP(EA), eV:	-8.6(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)NC(C)C2CC2)C

DOS

IR

Vibrations