Geometry & MOs

Info

ID:	9511
PubChem CID:	90432
Reduced:	ClNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	305.118257
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	1.08
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-1-(4-methoxyphenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCNCC2=CC=CC=C2.Cl

DOS

IR

Vibrations