Geometry & MOs

Info

ID:	29091
PubChem CID:	831548
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	3.04
IP(EA), eV:	-9.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC(C1)(C)C)NC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations