Geometry & MOs

Info

ID:	189067
PubChem CID:	77812072
Reduced:	ClO3N7C23H26 (1)
Stoich.:	AB3C7D23E26 (1)
Weight, g/mol:	389.304228
ΔH_f, kcal/mol:	-22.82
Dipole, Da:	2.71
IP(EA), eV:	-9.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) 1,10-dimethyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydropyrrolo[3,2-b]carbazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(N(C1C)C(=O)C(CC2=CC=CC=N2)O)C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NN=N4

DOS

IR

Vibrations