Geometry & MOs

Info

ID:	258653
PubChem CID:	103155992
Reduced:	N2O3C10H22 (1)
Stoich.:	A2B3C10D22 (1)
Weight, g/mol:	307.125609
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	3.87
IP(EA), eV:	-9.52(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC(C)(CO)NC(=O)CC(CN)OC

DOS

IR

Vibrations