Geometry & MOs

Info

ID:	368608
PubChem CID:	127329641
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	4.56
IP(EA), eV:	-8.85(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations