Geometry & MOs

Info

ID:	136161
PubChem CID:	51988819
Reduced:	ClNO3C24H27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	386.13231
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	1.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079381
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC[NH2+]CC2=C(C(=CC=C2)OC)OCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations