Geometry & MOs

Info

ID:	10692
PubChem CID:	106740
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-120.19
Dipole, Da:	3.08
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate

Drug info:

PubChemData

Smile

CC(C)(CCCC1=CCC(CC1)C=NC2=CC=CC=C2C(=O)OC)O

DOS

IR

Vibrations