Geometry & MOs

Info

ID:

164929

PubChem CID:

74474114

Reduced:

N2O2C25H35 (1)

Stoich.:

A2B2C25D35 (1)

Weight, g/mol:

469.223966

ΔHf, kcal/mol:

-51.89

Dipole, Da:

3.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.123921

Charge, e:

 1

Chem-info

IUPAC name:

11-(4-methoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-16-aza-14-azoniatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine

Drug info:

PubChemData

Smile

CC1(CC(CCO1)(CC[NH+]=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations