Geometry & MOs

Info

ID:	233968
PubChem CID:	92297445
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	143.076871
ΔH_f, kcal/mol:	35.03
Dipole, Da:	1.88
IP(EA), eV:	-8.3(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methylazepane-2-thione

Drug info:

PubChemData

Smile

C[C@@H]1CC/C(=N\N(C)C)/C2=CC=CC=C12

DOS

IR

Vibrations