Geometry & MOs

Info

ID:	140658
PubChem CID:	52738506
Reduced:	ON2C10H18 (2)
Stoich.:	AB2C10D18 (2)
Weight, g/mol:	425.236422
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	5.12
IP(EA), eV:	-9.16(1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCC(CC2)NC(=O)NC3CCCCC3

DOS

IR

Vibrations