Geometry & MOs

Info

ID:	88530
PubChem CID:	49955172
Reduced:	ClNOC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	402.102759
ΔH_f, kcal/mol:	24.38
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750211
Charge, e:	-1

Chem-info

IUPAC name:

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=CC(=CC=C2)OC.[Cl-]

DOS

IR

Vibrations