Geometry & MOs

Info

ID:	73623
PubChem CID:	48419532
Reduced:	ClN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	4.51
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-1-[2-(1-methylindol-3-yl)acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC(=O)CCC2=C(ON=C2C)Cl)OCC

DOS

IR

Vibrations