Geometry & MOs

Info

ID:	413252
PubChem CID:	135086199
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	33.42
Dipole, Da:	4.53
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-3-yl(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(CN1)N(C3=C2C=CC=C3C4=CC=CC=C4)C5=NC=CC=N5

DOS

IR

Vibrations