Geometry & MOs

Info

ID:	371938
PubChem CID:	131281375
Reduced:	BrN3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	197.032422
ΔH_f, kcal/mol:	53.21
Dipole, Da:	3.56
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-methoxy-4-nitrobenzaldehyde

Drug info:

PubChemData

Smile

CC(C)N(CC#N)C1=C(C=CC=N1)Br

DOS

IR

Vibrations