Geometry & MOs

Info

ID:	75255
PubChem CID:	48423244
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	4.47
IP(EA), eV:	-8.77(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[3-(1,2,4-triazol-1-yl)propylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C3CC3)C(=O)C(C)OCC4CC4

DOS

IR

Vibrations