Geometry & MOs

Info

ID:	403970
PubChem CID:	135063686
Reduced:	BrN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	6.66
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-phenyl-5-(2,4,6-trimethylbenzoyl)pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations