Geometry & MOs

Info

ID:	426637
PubChem CID:	135153065
Reduced:	SN4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	371.236148
ΔH_f, kcal/mol:	99.98
Dipole, Da:	7.6
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-(3,3,4,4,5-pentamethylisoquinolin-1-yl)quinolin-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C(=NC1(C)C)C3=CN4C=CN=C4N=C3)SC=C2)C

DOS

IR

Vibrations