Geometry & MOs

Info

ID:	123490
PubChem CID:	50850205
Reduced:	NBr2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	4.84
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=C(C(=CC(=C2)Br)Br)OC

DOS

IR

Vibrations