Geometry & MOs

Info

ID:	363269
PubChem CID:	127310410
Reduced:	O2F3N5C14H24 (1)
Stoich.:	A2B3C5D14E24 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-250.59
Dipole, Da:	1.73
IP(EA), eV:	-8.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCN(C2=O)CC(F)(F)F)C

DOS

IR

Vibrations