Geometry & MOs

Info

ID:	333274
PubChem CID:	127251826
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	33.57
Dipole, Da:	4.31
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC5=C(C=C4)N=CC=C5)C(=N2)NC

DOS

IR

Vibrations