Geometry & MOs

Info

ID:	9241
PubChem CID:	87372
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	3.23
IP(EA), eV:	-8.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CCNC3=O

DOS

IR

Vibrations