Geometry & MOs

Info

ID:	195172
PubChem CID:	78650040
Reduced:	BrOSN5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	341.150132
ΔH_f, kcal/mol:	32.66
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

DOS

IR

Vibrations