Geometry & MOs

Info

ID:	363241
PubChem CID:	127310382
Reduced:	F3O3N4C13H19 (1)
Stoich.:	A3B3C4D13E19 (1)
Weight, g/mol:	398.04121
ΔH_f, kcal/mol:	-300.55
Dipole, Da:	5.52
IP(EA), eV:	-10.08(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NC(=O)NC2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations