Geometry & MOs

Info

ID:	130783
PubChem CID:	51107175
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	294.129217
ΔH_f, kcal/mol:	2.49
Dipole, Da:	4.71
IP(EA), eV:	-9.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N(C)CCCC2=CC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations