Geometry & MOs

Info

ID:	257182
PubChem CID:	103144252
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	69.82
Dipole, Da:	4.56
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-isoquinolin-8-yl-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NC(=C(C(=N1)NC)C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations