Geometry & MOs

Info

ID:

431883

PubChem CID:

135172004

Reduced:

NH29C50 (1)

Stoich.:

AB29C50 (1)

Weight, g/mol:

478.294391

ΔHf, kcal/mol:

367.59

Dipole, Da:

3.8

IP(EA), eV:

 -7.96(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(5-cyanopyridin-2-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC=C(C8=CC=CC=C87)C9=CC1=C2C(=C9)C=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations