Geometry & MOs

Info

ID:	212548
PubChem CID:	81060923
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	78.98
Dipole, Da:	2.47
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2=CN=CC=C2

DOS

IR

Vibrations