Geometry & MOs

Info

ID:	353156
PubChem CID:	127284336
Reduced:	O2N7C16H19 (1)
Stoich.:	A2B7C16D19 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	61.28
Dipole, Da:	5.42
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C

DOS

IR

Vibrations