Geometry & MOs

Info

ID:	332604
PubChem CID:	127250890
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	442.24811
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	3.76
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCOC(C3)C4=NNC(=C4)CCOC5=CC(=CC=C5)F

DOS

IR

Vibrations