Geometry & MOs

Info

ID:	149445
PubChem CID:	53789118
Reduced:	NOF2Cl4H9C14 (1)
Stoich.:	ABC2D4E9F14 (1)
Weight, g/mol:	377.103
ΔH_f, kcal/mol:	-109.1
Dipole, Da:	2.18
IP(EA), eV:	-9.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-3-ethoxycarbonyl-1-methyl-10-oxo-2,5a,10a,10b-tetrahydro-1H-cyclohepta[b]indol-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)F)OC2=C(C=CC(=N2)CCC(Cl)(Cl)Cl)F

DOS

IR

Vibrations