Geometry & MOs

Info

ID:	31825
PubChem CID:	3719900
Reduced:	NO9C26H45 (1)
Stoich.:	AB9C26D45 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-467.55
Dipole, Da:	4.58
IP(EA), eV:	-9.7(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1C(C(C(C(O1)N)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations