Geometry & MOs

Info

ID:	243347
PubChem CID:	99222700
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	6.17
IP(EA), eV:	-9.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-1-ethyl-N-[(1S)-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)C2=CC3=C(C=C2)N(N=N3)CC

DOS

IR

Vibrations