Geometry & MOs

Info

ID:	184423
PubChem CID:	77159684
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	471.184187
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	3.71
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-methyl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]-5-(1,1,1-trifluoropropan-2-yloxycarbonylamino)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)OC(C)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)Br

DOS

IR

Vibrations