Geometry & MOs

Info

ID:	295707
PubChem CID:	117543274
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	4.95
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C2(CCNC2)CO)OC

DOS

IR

Vibrations