Geometry & MOs

Info

ID:	371995
PubChem CID:	131284798
Reduced:	NF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	264.02621
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	1.61
IP(EA), eV:	-9.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-amino-2-cyclopropylethyl]-5-bromobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CO)C#N)OC(F)F

DOS

IR

Vibrations