Geometry & MOs

Info

ID:	179345
PubChem CID:	76468883
Reduced:	ON3C18H18 (2)
Stoich.:	AB3C18D18 (2)
Weight, g/mol:	491.208803
ΔH_f, kcal/mol:	60.42
Dipole, Da:	1.81
IP(EA), eV:	-8.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorobenzoyl)amino]-N-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NN=C2C(CC3=CNC4=CC=CC=C43)NC(=O)NCC5=CC=CC=C5)CCC6=CC=CC=C6

DOS

IR

Vibrations