Geometry & MOs

Info

ID:	225446
PubChem CID:	85786925
Reduced:	N3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	150.985863
ΔH_f, kcal/mol:	79.45
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758144
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-2-oxoethanethioyl chloride

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCC3=CCN(C=C3)CCC[N+](C)(C)C

DOS

IR

Vibrations