Geometry & MOs

Info

ID:	75660
PubChem CID:	48423810
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	1.85
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)CN2C=CN=C2)OCC3CC3

DOS

IR

Vibrations