Geometry & MOs

Info

ID:	11544
PubChem CID:	117396
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	1.99
IP(EA), eV:	-8.8(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol

Drug info:

PubChemData

Smile

CCCCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O

DOS

IR

Vibrations