Geometry & MOs

Info

ID:	364044
PubChem CID:	127313715
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	3.55
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations