Geometry & MOs

Info

ID:	279385
PubChem CID:	103843599
Reduced:	FNSO2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	5.08
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(S1)C=CC(=C2)F)CO

DOS

IR

Vibrations