Geometry & MOs

Info

ID:	448844
PubChem CID:	135293989
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	331.00693
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	2.02
IP(EA), eV:	-8.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodo-2-methylphenyl)-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=C(C=C2)NC(=O)[C@H](CCC(=O)N)N

DOS

IR

Vibrations