Geometry & MOs

Info

ID:

186102

PubChem CID:

77390616

Reduced:

OF2N8C33H36 (1)

Stoich.:

AB2C8D33E36 (1)

Weight, g/mol:

513.227549

ΔHf, kcal/mol:

53.13

Dipole, Da:

5.7

IP(EA), eV:

 -8.74(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(difluoromethyl)-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C=NN2C3=C(C=C(C=C3)F)F)C(=O)N4CCC(C4)C5=CC=CC=C5)CC6=CC=C(C=C6)C7NNNN7

DOS

IR

Vibrations