Geometry & MOs

Info

ID:	247061
PubChem CID:	103067110
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	401.02364
ΔH_f, kcal/mol:	-2.89
Dipole, Da:	2.22
IP(EA), eV:	-8.57(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-nitro-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]benzonitrile

Drug info:

PubChemData

Smile

C=C(CNC1CC1)COC2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations