Geometry & MOs

Info

ID:	293739
PubChem CID:	117398522
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	257.04153
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	1.24
IP(EA), eV:	-9.28(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CCCN)Br)OC

DOS

IR

Vibrations