Geometry & MOs

Info

ID:	89813
PubChem CID:	49964820
Reduced:	ISN2O2C16H21 (1)
Stoich.:	ABC2D2E16F21 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	8.13
IP(EA), eV:	-7.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](C)(C)C.[I-]

DOS

IR

Vibrations