Geometry & MOs

Info

ID:	177747
PubChem CID:	76224306
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	147.083019
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	5.36
IP(EA), eV:	-9.82(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)thiolane-3,4-diamine

Drug info:

PubChemData

Smile

CC(C=CC(C)N)C(=O)O

DOS

IR

Vibrations