Geometry & MOs

Info

ID:	156095
PubChem CID:	56369119
Reduced:	BrO2N5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	2.2
IP(EA), eV:	-8.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCCN2C(=O)N3C=CC=CC3=N2)Br

DOS

IR

Vibrations