Geometry & MOs

Info

ID:	198336
PubChem CID:	79089514
Reduced:	OCl2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	3.07
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-4-ylethanamine

Drug info:

PubChemData

Smile

CNC(C1CN2CCCC2CO1)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations