Geometry & MOs

Info

ID:	416454
PubChem CID:	135089467
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	8.03
IP(EA), eV:	-8.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations