Geometry & MOs

Info

ID:	362078
PubChem CID:	127305690
Reduced:	O2S2N3C18H27 (1)
Stoich.:	A2B2C3D18E27 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	2.76
IP(EA), eV:	-8.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(oxane-3-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations