Geometry & MOs

Info

ID:	243346
PubChem CID:	99222699
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	3.42
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-1-ethyl-N-[(1R)-1-(4-propylphenyl)ethyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)/C=C/C2=CC(=C(C=C2)OCC=C)OC

DOS

IR

Vibrations