Geometry & MOs

Info

ID:	265466
PubChem CID:	103523655
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	1.81
IP(EA), eV:	-8.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N)C2=C(C(=C(C=C2)OC)Br)OC

DOS

IR

Vibrations