Geometry & MOs

Info

ID:	30636
PubChem CID:	841600
Reduced:	FN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-171.56
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)F)CCN3CCOCC3)O

DOS

IR

Vibrations