Geometry & MOs

Info

ID:	161162
PubChem CID:	57390930
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	526.202321
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	4.12
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-4-oxochromen-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(C(=N2)OC)NC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations