Geometry & MOs

Info

ID:	255720
PubChem CID:	103134249
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	216.129634
ΔH_f, kcal/mol:	32.41
Dipole, Da:	5.5
IP(EA), eV:	-9.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations