Geometry & MOs

Info

ID:	295712
PubChem CID:	117543322
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	0.94
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CN1CCC(C1)(CO)C2=CC=C(C=C2)Br

DOS

IR

Vibrations