Geometry & MOs

Info

ID:	333263
PubChem CID:	127251815
Reduced:	FO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	404.23246
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	4.04
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[3-[6-methyl-4-(methylamino)-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)C(=O)CC4=CC=C(C=C4)F)C(=N2)NC

DOS

IR

Vibrations