Geometry & MOs

Info

ID:	149127
PubChem CID:	53788799
Reduced:	OC20H28 (1)
Stoich.:	AB20C28 (1)
Weight, g/mol:	359.159354
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	4.03
IP(EA), eV:	-9.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclopropyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCC=CC1CCC(CC1)C2=CC=C(C=C2)C(=O)CC

DOS

IR

Vibrations