Geometry & MOs

Info

ID:	327720
PubChem CID:	126690881
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	308.92992
ΔH_f, kcal/mol:	16.23
Dipole, Da:	1.07
IP(EA), eV:	-7.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-[(E)-2-bromoprop-1-enyl]-2-N-methylpyrrole-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CCC2=C(N1CC3=CC=CC=C3)C=CCC2

DOS

IR

Vibrations