Geometry & MOs

Info

ID:	198632
PubChem CID:	79127693
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	2.84
IP(EA), eV:	-9.31(3.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)cyclohexyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CCC(C)(CN)C1(CCCCCC1)O

DOS

IR

Vibrations