Geometry & MOs

Info

ID:	282932
PubChem CID:	103946285
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	4.88
IP(EA), eV:	-10.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CN=CS1

DOS

IR

Vibrations