Geometry & MOs

Info

ID:	299420
PubChem CID:	117682883
Reduced:	ClO3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	561.275133
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	3.32
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[[[3-(cyclopropylmethoxy)-5-methoxybenzoyl]amino]methyl]piperidin-1-yl]pyrimidin-2-yl]-N-ethyl-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C2=NC=CC(=N2)N3CCC(CC3)CNC(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations