Geometry & MOs

Info

ID:	7888
PubChem CID:	74402
Reduced:	NC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	157.089149
ΔH_f, kcal/mol:	29.89
Dipole, Da:	1.19
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethylisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C(=N1)C

DOS

IR

Vibrations