Geometry & MOs

Info

ID:	205959
PubChem CID:	80182970
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	310.10446
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	3.48
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-methylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CNCC3(CCCO3)C

DOS

IR

Vibrations