Geometry & MOs

Info

ID:	245535
PubChem CID:	99453694
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	470.097554
ΔH_f, kcal/mol:	-34.66
Dipole, Da:	10.47
IP(EA), eV:	-9.01(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dichlorobenzoyl)-N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N(CC3=CC=C(C=C3)C(=O)NC)C4CC4

DOS

IR

Vibrations