Geometry & MOs

Info

ID:

448602

PubChem CID:

135292164

Reduced:

ON7C25H29 (1)

Stoich.:

AB7C25D29 (1)

Weight, g/mol:

452.233602

ΔHf, kcal/mol:

136.56

Dipole, Da:

5.88

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopropyl-5-(4-ethenyl-5-fluoro-4,5-dihydropyrimidin-2-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C2CN(CCN2C(=O)C3CC3)C4=NC(=C(C=C4C#N)/C(=C/N)/C=NCC#N)C5CC5

DOS

IR

Vibrations