Geometry & MOs

Info

ID:	255280
PubChem CID:	103131119
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	1.61
Dipole, Da:	4.08
IP(EA), eV:	-8.42(0.82)
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-yl-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1CN2CCCC2CO1)C3=NN(C=C3)C

DOS

IR

Vibrations