Geometry & MOs

Info

ID:	168951
PubChem CID:	75045335
Reduced:	ON7C29H39 (1)
Stoich.:	AB7C29D39 (1)
Weight, g/mol:	441.248838
ΔH_f, kcal/mol:	31.64
Dipole, Da:	4.78
IP(EA), eV:	-8.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-hydroxypentylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC2=NC(=CC=C2)C(=O)NC3CC(CC4C3CNN4)C5=C6C=CNC6=CC=C5

DOS

IR

Vibrations