Geometry & MOs

Info

ID:	333240
PubChem CID:	127251789
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	4.42
IP(EA), eV:	-9.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)C4=CC(=CC=C4)OC)C(=N2)NC

DOS

IR

Vibrations