Geometry & MOs

Info

ID:	67857
PubChem CID:	46507306
Reduced:	ClFN3H7C12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	50.36
Dipole, Da:	1.02
IP(EA), eV:	-9.19(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(dimethylaminomethylideneamino)-4-phenyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN3C=CN=C(C3=C2)Cl)F

DOS

IR

Vibrations