Geometry & MOs

Info

ID:	81925
PubChem CID:	49855359
Reduced:	O7C25H34 (1)
Stoich.:	A7B25C34 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-348.65
Dipole, Da:	3.35
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)[C@H](C[C@@H]3[C@@]2(CC[C@@H]([C@@]3(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O

DOS

IR

Vibrations