Geometry & MOs

Info

ID:	294649
PubChem CID:	117478686
Reduced:	BrOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	296.08881
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	2.99
IP(EA), eV:	-9.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C1=C(C=C(C=C1)CC2(CC2)O)Br

DOS

IR

Vibrations