Geometry & MOs

Info

ID:	24621
PubChem CID:	611426
Reduced:	ON3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	28.3
Dipole, Da:	4.25
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrrol-2-ylmethylideneamino)benzamide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations