Geometry & MOs

Info

ID:	186246
PubChem CID:	77411404
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	625.174641
ΔH_f, kcal/mol:	50.89
Dipole, Da:	3.45
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 1-[4-(4-acetamido-3-acetyloxybutoxy)phenyl]-6-chloro-1,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)C2=C3C=CNC3=CC=C2)CN(C)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations