Geometry & MOs

Info

ID:	191543
PubChem CID:	78162317
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	5.48
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-2-yl]-(3-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)C=CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations