Geometry & MOs

Info

ID:	154399
PubChem CID:	56313826
Reduced:	BrO4N5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	3.7
Dipole, Da:	5.29
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-naphthalen-2-yloxypropanoyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations