Geometry & MOs

Info

ID:	172330
PubChem CID:	75497051
Reduced:	ON6H12C16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	111.03
Dipole, Da:	8.0
IP(EA), eV:	-9.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)morpholine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NN=C2NC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations