Geometry & MOs

Info

ID:	30721
PubChem CID:	841765
Reduced:	BrClON5C11H11 (1)
Stoich.:	ABCD5E11F11 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	30.45
Dipole, Da:	5.38
IP(EA), eV:	-9.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=O)C2=NN(C(=C2Br)C)C)Cl

DOS

IR

Vibrations