Geometry & MOs

Info

ID:	36466
PubChem CID:	8007125
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	370.124132
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	1.59
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3,4-difluorophenyl)-5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)NC(=O)C3=CC=CO3

DOS

IR

Vibrations