Geometry & MOs

Info

ID:	347881
PubChem CID:	127272943
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	5.16
IP(EA), eV:	-8.81(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)C3CCCO3)C

DOS

IR

Vibrations