Geometry & MOs

Info

ID:	172847
PubChem CID:	75559205
Reduced:	BrN2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	116.61
Dipole, Da:	3.46
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=C(C#N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations