Geometry & MOs

Info

ID:	265475
PubChem CID:	103524126
Reduced:	BrO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	5.3
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminocyclohexyl)-(3-bromo-2,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(CC1=C(C(=C(C=C1)OC)Br)OC)C(=O)O

DOS

IR

Vibrations