Geometry & MOs

Info

ID:	252896
PubChem CID:	103114814
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	6.83
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(N=NN2CCCOC)C(=O)O

DOS

IR

Vibrations