Geometry & MOs

Info

ID:	368509
PubChem CID:	127329321
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	399.182588
ΔH_f, kcal/mol:	9.38
Dipole, Da:	5.53
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=C(C=CS3)C#N

DOS

IR

Vibrations