Geometry & MOs

Info

ID:

433702

PubChem CID:

135173842

Reduced:

NO2C15H19 (1)

Stoich.:

AB2C15D19 (1)

Weight, g/mol:

781.350716

ΔHf, kcal/mol:

-46.07

Dipole, Da:

1.0

IP(EA), eV:

 -8.55(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[2-chloro-5-[(5-nitrosopyridin-3-yl)methoxy]-4-(piperidin-1-ylmethyl)phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(O1)C=CC(=C2)OC3CC(C3)N

DOS

IR

Vibrations