Geometry & MOs

Info

ID:	333306
PubChem CID:	127251858
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	5.78
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCOCC2)C(=O)N3CCC(C3)C4=NC5=C(CN(CC5)C)C(=N4)NC

DOS

IR

Vibrations