Geometry & MOs

Info

ID:	150212
PubChem CID:	53789899
Reduced:	O2N7C30H37 (1)
Stoich.:	A2B7C30D37 (1)
Weight, g/mol:	216.091708
ΔH_f, kcal/mol:	22.88
Dipole, Da:	2.74
IP(EA), eV:	-8.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 6-chloro-2-ethenylhex-4-enoate

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=C(C=CN=C2)C3=CC=C(C=C3)C4=NNN=N4)C5CCCCCCC5C(=O)C

DOS

IR

Vibrations