Geometry & MOs

Info

ID:	122453
PubChem CID:	50807224
Reduced:	BrN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	5.56
IP(EA), eV:	-7.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations