Geometry & MOs

Info

ID:	257178
PubChem CID:	103144235
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	250.121846
ΔH_f, kcal/mol:	80.96
Dipole, Da:	1.95
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations