Geometry & MOs

Info

ID:	80142
PubChem CID:	49833226
Reduced:	BrF2O2N3C25H30 (1)
Stoich.:	AB2C2D3E25F30 (1)
Weight, g/mol:	606.051605
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	4.3
IP(EA), eV:	-8.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-(4-chlorophenoxy)carbonyloxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NC4=C(C=C(C=C4F)Br)F)C35CC5

DOS

IR

Vibrations