Geometry & MOs

Info

ID:	128658
PubChem CID:	51053534
Reduced:	FN3O5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	425.185175
ΔH_f, kcal/mol:	-194.21
Dipole, Da:	9.39
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-diphenylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=C(C=C(C=C2)F)OC

DOS

IR

Vibrations