Geometry & MOs

Info

ID:	70926
PubChem CID:	48414057
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	393.120382
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	3.87
IP(EA), eV:	-9.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations