Geometry & MOs

Info

ID:	210502
PubChem CID:	80816104
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	46.13
Dipole, Da:	4.44
IP(EA), eV:	-8.15(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1=CN=CC(=N1)N2CC(CC3=CC=CC=C32)C

DOS

IR

Vibrations