Geometry & MOs

Info

ID:	285347
PubChem CID:	104100783
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	2.87
IP(EA), eV:	-8.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrazol-1-yl)-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(OC1)C(=O)CCOC2=CC=CC(=C2)N

DOS

IR

Vibrations