Geometry & MOs

Info

ID:	290857
PubChem CID:	111364622
Reduced:	IO3N4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	447.11312
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	6.76
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[[[2-(dimethylamino)-2-oxoethyl]amino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N(C)C)NCCC1=CC=C(C=C1)C(=O)OC.I

DOS

IR

Vibrations