Geometry & MOs

Info

ID:

187841

PubChem CID:

77633675

Reduced:

NO2C14H15 (3)

Stoich.:

AB2C14D15 (3)

Weight, g/mol:

513.247284

ΔHf, kcal/mol:

-183.54

Dipole, Da:

3.03

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropylmethyl-[1-[3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)NCC5(C6=CC=CC=C6OC7=CC=CC=C75)CCCCOC

DOS

IR

Vibrations