Geometry & MOs

Info

ID:	268383
PubChem CID:	103599189
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	4.84
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylmorpholin-2-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C=CC2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations