Geometry & MOs

Info

ID:	144890
PubChem CID:	53429197
Reduced:	BClO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	260.011933
ΔH_f, kcal/mol:	-189.01
Dipole, Da:	4.49
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dichloro-6-cyano-3-methoxycyclohexa-2,4-dien-1-yl)acetamide

Drug info:

PubChemData

Smile

B(C1=C(C2=C(O1)C=CC(=C2)OC)Cl)(O)O

DOS

IR

Vibrations