Geometry & MOs

Info

ID:	256077
PubChem CID:	103136882
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	245.056719
ΔH_f, kcal/mol:	53.33
Dipole, Da:	2.99
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(5-methyloxolan-2-yl)methyl]-3-nitropyrazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations