Geometry & MOs

Info

ID:	247079
PubChem CID:	103067351
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	6.98
IP(EA), eV:	-9.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(cyclopropylamino)methyl]prop-2-enoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=C)CNC(C)C)[N+](=O)[O-])Br

DOS

IR

Vibrations