Geometry & MOs

Info

ID:	123626
PubChem CID:	50856711
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	39.97
Dipole, Da:	12.92
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)/C=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations