Geometry & MOs

Info

ID:	256372
PubChem CID:	103138822
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	3.26
IP(EA), eV:	-9.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNC2CC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations