Geometry & MOs

Info

ID:	363155
PubChem CID:	127310188
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	5.1
IP(EA), eV:	-9.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations