Geometry & MOs

Info

ID:	300289
PubChem CID:	121270219
Reduced:	ClO2N6C25H25 (1)
Stoich.:	AB2C6D25E25 (1)
Weight, g/mol:	426.2265
ΔH_f, kcal/mol:	39.28
Dipole, Da:	7.28
IP(EA), eV:	-8.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[(4-acetylbenzoyl)-(2-deuteriopropan-2-yl)amino]methyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)C6=CN(N=C6)C)C

DOS

IR

Vibrations