Geometry & MOs

Info

ID:	204975
PubChem CID:	80039013
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	319.99089
ΔH_f, kcal/mol:	34.2
Dipole, Da:	10.12
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1CCCCCN1C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations