Geometry & MOs

Info

ID:	433122
PubChem CID:	135173259
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	170.112922
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	5.72
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-4-methylsulfanylhepta-2,5-diene

Drug info:

PubChemData

Smile

CC1=CN2C(=NN(C2=O)C)N=C1N3CCC(CC3)OCC4CCCC4

DOS

IR

Vibrations