Geometry & MOs

Info

ID:	317922
PubChem CID:	126647676
Reduced:	FNPO4C12H17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	224.131349
ΔH_f, kcal/mol:	-263.31
Dipole, Da:	3.1
IP(EA), eV:	-9.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-aminoethenyl)-3-methylcycloprop-2-en-1-yl]-3-ethylbenzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)N[P@@](=O)(C)OC1=CC(=CC=C1)F

DOS

IR

Vibrations