Geometry & MOs

Info

ID:	333318
PubChem CID:	127251870
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	7.96
Dipole, Da:	6.52
IP(EA), eV:	-7.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC=CC=C4N5CCCC5)C(=N2)NC

DOS

IR

Vibrations