Geometry & MOs

Info

ID:	257061
PubChem CID:	103143451
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	4.61
IP(EA), eV:	-8.95(-0.61)
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)methanol

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC2=C1C=NC=C2)O)N(C)C

DOS

IR

Vibrations