Geometry & MOs

Info

ID:	70802
PubChem CID:	48413890
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	371.120524
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC(=C1)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations