Geometry & MOs

Info

ID:	352508
PubChem CID:	127283596
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	4.62
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

DOS

IR

Vibrations