Geometry & MOs

Info

ID:	151220
PubChem CID:	53790920
Reduced:	FN3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	228.102941
ΔH_f, kcal/mol:	-166.57
Dipole, Da:	8.01
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-(C-ethyl-N-methoxycarbonimidoyl)cyclohexa-1,3-dien-1-yl]methanamine

Drug info:

PubChemData

Smile

CN1C=CCC(=C1)C(N2C=C(C(=O)NC2=O)F)OC=O

DOS

IR

Vibrations