Geometry & MOs

Info

ID:	365445
PubChem CID:	127317844
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	12.81
Dipole, Da:	1.86
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=CN4C=CSC4=N3

DOS

IR

Vibrations