Geometry & MOs

Info

ID:	204201
PubChem CID:	79931306
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	264.169859
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	3.29
IP(EA), eV:	-8.85(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-1H-1,2,4-triazol-5-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)C3COCCN3

DOS

IR

Vibrations