Geometry & MOs

Info

ID:	131310
PubChem CID:	51189126
Reduced:	NO2F3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	320.04986
ΔH_f, kcal/mol:	-238.35
Dipole, Da:	6.73
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1COCCC1C(=O)NCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations