Geometry & MOs

Info

ID:	267341
PubChem CID:	103581916
Reduced:	BrON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	278.04186
ΔH_f, kcal/mol:	33.76
Dipole, Da:	2.26
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CC=C(O2)C#N

DOS

IR

Vibrations