Geometry & MOs

Info

ID:	294822
PubChem CID:	117498549
Reduced:	BrO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	4.01
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-bromo-3,5-dimethylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OCC2CCC2)CCCO

DOS

IR

Vibrations