Geometry & MOs

Info

ID:	445846
PubChem CID:	135269769
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-156.61
Dipole, Da:	3.44
IP(EA), eV:	-9.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-amino-3-(aminomethyl)-1,3-dimethylcyclohexyl]-2-methylpropanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(O)OC=O

DOS

IR

Vibrations