Geometry & MOs

Info

ID:	200606
PubChem CID:	79415356
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-99.67
Dipole, Da:	2.87
IP(EA), eV:	-9.45(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-aminopentan-2-yl)-4,4-dimethylcycloheptan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)C1(CCCC(CC1)CC)O

DOS

IR

Vibrations