Geometry & MOs

Info

ID:	198294
PubChem CID:	79081858
Reduced:	ClFN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	266.235814
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	5.4
IP(EA), eV:	-9.23(-0.67)
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)-2,3-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC2=NC(=NC=C2F)Cl

DOS

IR

Vibrations