Geometry & MOs

Info

ID:	404123
PubChem CID:	135065090
Reduced:	SiN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	312.179755
ΔH_f, kcal/mol:	54.93
Dipole, Da:	7.6
IP(EA), eV:	-8.71(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(dimethylcarbamoyl)-3-ethyl-5-methyl-2-oxidopyrazol-2-ium-1-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(C(=N2)C#C[Si](C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations