Geometry & MOs

Info

ID:	285384
PubChem CID:	104104048
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-117.38
Dipole, Da:	2.57
IP(EA), eV:	-9.41(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)OCC(=O)N1CCCCO1

DOS

IR

Vibrations