Geometry & MOs

Info

ID:	75568
PubChem CID:	48423670
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	1.27
IP(EA), eV:	-9.66(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCCCOC)OCC1CC1

DOS

IR

Vibrations