Geometry & MOs

Info

ID:	123552
PubChem CID:	50853897
Reduced:	ClON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	304.05751
ΔH_f, kcal/mol:	8.64
Dipole, Da:	4.95
IP(EA), eV:	-8.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=C1)C=NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations