Geometry & MOs

Info

ID:	190268
PubChem CID:	77978497
Reduced:	NO4C36H39 (1)
Stoich.:	AB4C36D39 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-97.38
Dipole, Da:	5.44
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCC=C(CC2)CCC=C3C4=C(COC5=C3C=C(C=C5)C(=CC(=O)O)C(C)C)N=CC=C4)O

DOS

IR

Vibrations