Geometry & MOs

Info

ID:	197005
PubChem CID:	78908490
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	289.978046
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	9.43
IP(EA), eV:	-9.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-ynylamino)-N-(2,4,5-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C=CCNCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations