Geometry & MOs

Info

ID:	403367
PubChem CID:	135059879
Reduced:	IN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	448.199822
ΔH_f, kcal/mol:	-17.23
Dipole, Da:	2.74
IP(EA), eV:	-8.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-butyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C(=CC=C3)I

DOS

IR

Vibrations