Geometry & MOs

Info

ID:	186866
PubChem CID:	77498990
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	479.216869
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	3.96
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)NC(C)(C)OC

DOS

IR

Vibrations