Geometry & MOs

Info

ID:	257052
PubChem CID:	103143333
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	4.92
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(isoquinolin-8-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=CC=CC2=C1C=NC=C2)N3CCCC3

DOS

IR

Vibrations