Geometry & MOs

Info

ID:	124445
PubChem CID:	50883888
Reduced:	BrN3O5H12C19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-5.97
Dipole, Da:	8.08
IP(EA), eV:	-9.96(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]-2-methylaniline

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C)C#N

DOS

IR

Vibrations