Geometry & MOs

Info

ID:	430050
PubChem CID:	135170107
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	2.42
IP(EA), eV:	-8.53(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-4-azatricyclo[4.3.1.13,8]undecan-5-ylidenemethyl]iminoisoquinolin-7-one

Drug info:

PubChemData

Smile

CN1CCC(=CC1)[C@@H]2CCCN2C(N(C)C)O

DOS

IR

Vibrations