Geometry & MOs

Info

ID:	333241
PubChem CID:	127251790
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-76.71
Dipole, Da:	7.54
IP(EA), eV:	-8.35(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)CC(=O)NC4=CC=C(C=C4)OC)NC

DOS

IR

Vibrations