Geometry & MOs

Info

ID:	131495
PubChem CID:	51214373
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	385.118632
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.8
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=NN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations