Geometry & MOs

Info

ID:	74960
PubChem CID:	48422760
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	5.04
IP(EA), eV:	-8.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)OCC3CC3

DOS

IR

Vibrations