Geometry & MOs

Info

ID:	337591
PubChem CID:	127258214
Reduced:	NOF3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	146.02469
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	3.66
IP(EA), eV:	-10.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminopyrrole-2-carbaldehyde;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C=O)C(F)(F)F

DOS

IR

Vibrations