Geometry & MOs

Info

ID:	125404
PubChem CID:	50923007
Reduced:	O4H16C19 (1)
Stoich.:	A4B16C19 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(propan-2-ylamino)-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC2=C(C=C1)OCO2)C(=C=C)C3=CC=CC=C3

DOS

IR

Vibrations