Geometry & MOs

Info

ID:	446592
PubChem CID:	135276264
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	260.96506
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	0.85
IP(EA), eV:	-7.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylbenzoyl iodide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCCCNC1=NC2=CC(=C(C=C2N(C1=C(C)C)C(=N)C)OC)OC

DOS

IR

Vibrations