Geometry & MOs

Info

ID:	88519
PubChem CID:	49955020
Reduced:	ClNO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	304.146817
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	2.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	-1

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCC(C2=CC=CC=C2)O)OCC=C.[Cl-]

DOS

IR

Vibrations