Geometry & MOs

Info

ID:	432100
PubChem CID:	135172232
Reduced:	N4C8H9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	170.076536
ΔH_f, kcal/mol:	162.93
Dipole, Da:	7.2
IP(EA), eV:	-9.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-2-methylidenethian-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CN2C(=NC(=N2)CC(C)C3=NN4C(=NC=N4)C=C3)N=C1

DOS

IR

Vibrations