Geometry & MOs

Info

ID:	80265
PubChem CID:	49833782
Reduced:	ClN2O3C29H35 (1)
Stoich.:	AB2C3D29E35 (1)
Weight, g/mol:	504.061918
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	4.1
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CCC3=C(C2C4=CC=C(C=C4)OC)NC5=C3C=C(C=C5)Cl)C(C)C

DOS

IR

Vibrations