Geometry & MOs

Info

ID:	276324
PubChem CID:	103822171
Reduced:	OSN2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	2.36
IP(EA), eV:	-8.69(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)NCCSCC=C

DOS

IR

Vibrations