Geometry & MOs

Info

ID:	403510
PubChem CID:	135060619
Reduced:	ClHOC3F4 (2)
Stoich.:	ABCD3E4 (2)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-506.72
Dipole, Da:	2.73
IP(EA), eV:	-11.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(dimethoxymethyl)-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1(C(C(C(C(C1(Cl)Cl)(F)F)(F)F)(F)F)(F)F)(O)O

DOS

IR

Vibrations