Geometry & MOs

Info

ID:	257186
PubChem CID:	103144265
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	96.95
Dipole, Da:	2.93
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-diethyl-6-isoquinolin-8-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N)C2CC2)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations