Geometry & MOs

Info

ID:	45764
PubChem CID:	10517422
Reduced:	ClFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	287.092436
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	3.83
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-(3-chloro-4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)Cl

DOS

IR

Vibrations