Geometry & MOs

Info

ID:	362016
PubChem CID:	127305369
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	4.84
IP(EA), eV:	-8.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propylsulfonylpiperidin-2-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCOC(C3)CN4C=CC=N4)OC

DOS

IR

Vibrations