Geometry & MOs

Info

ID:	439364
PubChem CID:	135229137
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	2.6
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-5-(2-isoquinolin-3-ylethyl)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCN1C=CC=C(C1=O)OCC2=CC=CC=C2

DOS

IR

Vibrations