Geometry & MOs

Info

ID:	136178
PubChem CID:	51991814
Reduced:	NO2C27H28 (1)
Stoich.:	AB2C27D28 (1)
Weight, g/mol:	441.173366
ΔH_f, kcal/mol:	10.39
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.328816
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methoxy]naphthalen-1-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C3=CC=CC=C3C=C2)C[NH2+]C[C@@H](C4=CC=CC=C4)O

DOS

IR

Vibrations