Geometry & MOs

Info

ID:	262228
PubChem CID:	103277838
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	2.92
IP(EA), eV:	-9.27(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-(3,5-dimethylcyclohex-3-en-1-yl)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C#N)C(C2CC(C=C(C2)C)C)O

DOS

IR

Vibrations