Geometry & MOs

Info

ID:	5963
PubChem CID:	14192
Reduced:	NO3C21H30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	344.222569
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750720
Charge, e:	1

Chem-info

IUPAC name:

[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium

Drug info:

PubChemData

Smile

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C

DOS

IR

Vibrations