Geometry & MOs

Info

ID:	287869
PubChem CID:	104296867
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	333.07283
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	3.69
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1)Br)C)C2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations