Geometry & MOs

Info

ID:	15282
PubChem CID:	435818
Reduced:	N2O3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	442.185235
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	7.27
IP(EA), eV:	-9.24(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-[4-[1-(2-hydroxy-5-methyl-3-nitrophenyl)ethylideneamino]butyl]-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=NCCCCN=C(C)C2=C(C(=CC(=C2)C)[N+](=O)[O-])O)C

DOS

IR

Vibrations