Geometry & MOs

Info

ID:	333390
PubChem CID:	127251942
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	6.24
IP(EA), eV:	-8.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)CC4=CN(C5=C4C=CC(=C5)OC)C)C(=N2)NC

DOS

IR

Vibrations