Geometry & MOs

Info

ID:	333380
PubChem CID:	127251932
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	7.05
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-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(CCN(C5)C)C(=N4)NC

DOS

IR

Vibrations