Geometry & MOs

Info

ID:	232129
PubChem CID:	87575576
Reduced:	INO2C7H16 (1)
Stoich.:	ABC2D7E16 (1)
Weight, g/mol:	421.097344
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	4.27
IP(EA), eV:	-9.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(C)C(O)(O)I

DOS

IR

Vibrations