Geometry & MOs

Info

ID:	294671
PubChem CID:	117480326
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	3.69
IP(EA), eV:	-8.76(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2(CCCCC2)N)Br)OC

DOS

IR

Vibrations