Geometry & MOs

Info

ID:	300401
PubChem CID:	121270589
Reduced:	ClO2N6H23C25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	462.2265
ΔH_f, kcal/mol:	45.88
Dipole, Da:	5.32
IP(EA), eV:	-8.8(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[[cyclopropyl(deuterio)methyl]-[4-(furan-2-yl)benzoyl]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=CN=C6)C

DOS

IR

Vibrations