Geometry & MOs

Info

ID:	17370
PubChem CID:	494463
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	4.12
IP(EA), eV:	-9.53(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-(3-aminopropyl)-5-methyl-2-methylidene-3,3a,4,5,6,7-hexahydro-1H-indene-1,7-diol

Drug info:

PubChemData

Smile

CC1CC2CC(=C)C(C2(C(C1)O)CCCN)O

DOS

IR

Vibrations