Geometry & MOs

Info

ID:	247007
PubChem CID:	103066339
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	0.61
IP(EA), eV:	-8.84(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCNCC(=C)COC1=CC(=C(C=C1)Cl)C

DOS

IR

Vibrations