Geometry & MOs

Info

ID:	256233
PubChem CID:	103137881
Reduced:	FN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	21.56
Dipole, Da:	2.53
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C2=CC=CC3=C2C=NC=C3)N)F

DOS

IR

Vibrations