Geometry & MOs

Info

ID:	157003
PubChem CID:	56404886
Reduced:	S2N3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	4.88
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(5-nitro-1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CSCCC(=O)N4CCC(CC4)C5OCCO5

DOS

IR

Vibrations