Geometry & MOs

Info

ID:	313740
PubChem CID:	126617376
Reduced:	ClFSO2N6C22H22 (1)
Stoich.:	ABCD2E6F22G22 (1)
Weight, g/mol:	391.186906
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	7.71
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)CCCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations