Geometry & MOs

Info

ID:	379020
PubChem CID:	134228902
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	229.18305
ΔH_f, kcal/mol:	16.7
Dipole, Da:	2.6
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3,4,4,5,7-heptamethylisoquinoline

Drug info:

PubChemData

Smile

CCOC(=C)/C(=C/N=C(C)/C(=C/C=C\C)/C=C)/C

DOS

IR

Vibrations