Geometry & MOs

Info

ID:	265671
PubChem CID:	103537689
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	3.91
IP(EA), eV:	-9.05(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxypyrrolidin-1-yl)heptan-4-ol

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(CN2CCC(C2)OC)O

DOS

IR

Vibrations