Geometry & MOs

Info

ID:	80264
PubChem CID:	49833779
Reduced:	ClN2O3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	494.233621
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	3.83
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=CC=C4)C5=C(N3)C=CC(=C5)Cl

DOS

IR

Vibrations