Geometry & MOs

Info

ID:	414001
PubChem CID:	135086954
Reduced:	NOH12C14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	308.12898
ΔH_f, kcal/mol:	18.31
Dipole, Da:	1.93
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphoryl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations