Geometry & MOs

Info

ID:	411439
PubChem CID:	135084270
Reduced:	BrNSO2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	153.078979
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	3.41
IP(EA), eV:	-9.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyanomethylidene)pentanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)/N=C/C1=CC=C(C=C1)Br

DOS

IR

Vibrations