Geometry & MOs

Info

ID:	234410
PubChem CID:	92298368
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	386.04912
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	2.83
IP(EA), eV:	-8.62(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=CC2=C(C=C1)OCCC2)O)NC

DOS

IR

Vibrations