Geometry & MOs

Info

ID:	260741
PubChem CID:	103202295
Reduced:	BNF3O4C8H8 (1)
Stoich.:	ABC3D4E8F8 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	-299.05
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794864
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

[B-](COC1=CC(=C(C=C1)OC)[N+](=O)[O-])(F)(F)F

DOS

IR

Vibrations