Geometry & MOs

Info

ID:	257185
PubChem CID:	103144261
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	79.18
Dipole, Da:	5.94
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NN=C(C(=C1C)C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations