Geometry & MOs

Info

ID:	297257
PubChem CID:	117614241
Reduced:	N2F3O4C26H31 (1)
Stoich.:	A2B3C4D26E31 (1)
Weight, g/mol:	149.095297
ΔH_f, kcal/mol:	-309.72
Dipole, Da:	8.56
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(Z)-prop-2-enylideneamino]pyrrol-3-amine

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC(=C1)[C@@H]2C[C@@H]2C(=O)O)NC(=O)NC3=CC=C(C=C3)C)OCCCC(F)(F)F

DOS

IR

Vibrations