Geometry & MOs

Info

ID:	41500
PubChem CID:	8145996
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	336.08341
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	1.27
IP(EA), eV:	-9.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C(=O)N(C(=O)N1)CN2CCC[C@@H](C2)C(=O)OCC

DOS

IR

Vibrations