Geometry & MOs

Info

ID:	186961
PubChem CID:	77508169
Reduced:	ClN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	550.204606
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	3.86
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl-cyclopropylcarbamoyl]-4-(3,4-difluorophenyl)-4-methoxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(C=CC=C2Cl)C(CCCNC(=O)O)(C3CCCNC3)O

DOS

IR

Vibrations