Geometry & MOs

Info

ID:	435641
PubChem CID:	135192037
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	413.166331
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	4.15
IP(EA), eV:	-9.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-(4-fluoro-2-formamidophenyl)butan-2-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C)CC1=CC=CC=C1)/C(=O)N

DOS

IR

Vibrations