Geometry & MOs

Info

ID:	67180
PubChem CID:	46506014
Reduced:	N3O3C11H11 (2)
Stoich.:	A3B3C11D11 (2)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	29.84
Dipole, Da:	4.76
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-naphthalen-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCC(=O)NC2=CC(=CC(=C2)O/N=C(/C)\C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations