Geometry & MOs

Info

ID:	88680
PubChem CID:	49956059
Reduced:	ClNO2C18H29 (1)
Stoich.:	ABC2D18E29 (1)
Weight, g/mol:	328.110432
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910406
Charge, e:	-1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC2CCC(CC2)C)OCC.[Cl-]

DOS

IR

Vibrations