Geometry & MOs

Info

ID:

435115

PubChem CID:

135180917

Reduced:

ClN3O3C22H24 (1)

Stoich.:

AB3C3D22E24 (1)

Weight, g/mol:

574.186209

ΔHf, kcal/mol:

-43.96

Dipole, Da:

3.95

IP(EA), eV:

 -8.46(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(3S,4S)-3-[[8-(cyclopropylmethylamino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]amino]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(C=C2C=N1)C3=C(C(=CC(=C3Cl)OC)OC)C)N4CC(C4)OC

DOS

IR

Vibrations