Geometry & MOs

Info

ID:	165498
PubChem CID:	74558945
Reduced:	O2N3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	373.99071
ΔH_f, kcal/mol:	20.05
Dipole, Da:	6.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752440
Charge, e:	-1

Chem-info

IUPAC name:

4-bromo-2-chloro-6-[[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations