Geometry & MOs

Info

ID:	312705
PubChem CID:	126607484
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	434.27941
ΔH_f, kcal/mol:	3.76
Dipole, Da:	2.18
IP(EA), eV:	-8.55(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-yl]-5-(3-methyl-1,2-dihydroimidazol-4-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCO/C=C/C1=CCC=CC=C1

DOS

IR

Vibrations