Geometry & MOs

Info

ID:	190095
PubChem CID:	77952813
Reduced:	O2N3C7H9 (2)
Stoich.:	A2B3C7D9 (2)
Weight, g/mol:	569.317747
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-tert-butyl-5-(1-methyl-4-phenylpiperidin-4-yl)pyrazol-3-yl]-2-[[2-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-hydroxyacetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)(C)C#N)N

DOS

IR

Vibrations