Geometry & MOs

Info

ID:	231338
PubChem CID:	87573501
Reduced:	N2O2C7H16 (1)
Stoich.:	A2B2C7D16 (1)
Weight, g/mol:	737.228417
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	2.43
IP(EA), eV:	-9.01(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-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;(2R,3R)-2,3-bis(phenylmethoxy)butanedioic acid

Drug info:

PubChemData

Smile

COCONC1CCNCC1

DOS

IR

Vibrations