Geometry & MOs

Info

ID:	432089
PubChem CID:	135172221
Reduced:	ClO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	170.112922
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	7.23
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diethyl-2-methylidenethiane

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations