Geometry & MOs

Info

ID:	343745
PubChem CID:	127266921
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	1.54
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1CCC(N(C1C)CC2=NC=CC=N2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations