Geometry & MOs

Info

ID:	198298
PubChem CID:	79083010
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	2.5
IP(EA), eV:	-8.54(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(1-ethylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(C)NCC2CN3CCCC3CO2

DOS

IR

Vibrations