Geometry & MOs

Info

ID:	364008
PubChem CID:	127313679
Reduced:	ON4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	66.0
Dipole, Da:	4.26
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CN=CN=C5C4

DOS

IR

Vibrations