Geometry & MOs

Info

ID:	257093
PubChem CID:	103143727
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	28.36
Dipole, Da:	4.24
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)N)OC

DOS

IR

Vibrations