Geometry & MOs

Info

ID:	354307
PubChem CID:	127286271
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	5.04
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=C2C(=CC=C1)SC(=N2)NC(=O)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations