Geometry & MOs

Info

ID:	280094
PubChem CID:	103846799
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	256.9243
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	2.22
IP(EA), eV:	-9.07(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CNC2CCOC(C2)(C)C

DOS

IR

Vibrations