Geometry & MOs

Info

ID:	123553
PubChem CID:	50853898
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	260.108026
ΔH_f, kcal/mol:	49.11
Dipole, Da:	6.5
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N=CC2=CN(C=C2)C(C)C)Br

DOS

IR

Vibrations