Geometry & MOs

Info

ID:	374831
PubChem CID:	131348967
Reduced:	INOF2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	252.02621
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.67
IP(EA), eV:	-10.18(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromophenyl)ethyl-methylamino]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C(=O)N)F)I

DOS

IR

Vibrations