Geometry & MOs

Info

ID:	183595
PubChem CID:	77044125
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	294.068367
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	1.82
IP(EA), eV:	-8.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)CC(C2=CC=CC=C2)C(=NO)N

DOS

IR

Vibrations