Geometry & MOs

Info

ID:	85213
PubChem CID:	49872472
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	463.137985
ΔH_f, kcal/mol:	7.73
Dipole, Da:	4.26
IP(EA), eV:	-7.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-2-methyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CC(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations