Geometry & MOs

Info

ID:	165638
PubChem CID:	74578636
Reduced:	ClN2O4C25H37 (1)
Stoich.:	AB2C4D25E37 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	-215.76
Dipole, Da:	2.88
IP(EA), eV:	-9.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1-methylpiperidin-4-yl)-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3Cl)O)C)NC(=O)COC

DOS

IR

Vibrations