Geometry & MOs

Info

ID:	30242
PubChem CID:	840995
Reduced:	ClNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	192.02834
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	4.16
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitropyrazolo[1,5-a]pyrimidine-6-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=NO)Cl)OC

DOS

IR

Vibrations