Geometry & MOs

Info

ID:	175679
PubChem CID:	75934838
Reduced:	ClN3O5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	6.95
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidin-4-yl]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)N3CCC(CC3)N4C=CC=C4C(=O)OC

DOS

IR

Vibrations