Geometry & MOs

Info

ID:	295702
PubChem CID:	117543023
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	2.61
IP(EA), eV:	-9.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CNCC1(CC2=CC=NC=C2)CO

DOS

IR

Vibrations