Geometry & MOs

Info

ID:	63323
PubChem CID:	26750609
Reduced:	SN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	8.73
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations