Geometry & MOs

Info

ID:	273874
PubChem CID:	103805550
Reduced:	ClION2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	394.05421
ΔH_f, kcal/mol:	9.55
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(ethylaminomethyl)phenyl]-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

CCNCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations