Geometry & MOs

Info

ID:	244289
PubChem CID:	99319708
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	482.212947
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	6.95
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(difluoromethoxy)benzoyl]-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)[C@H]3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations