Geometry & MOs

Info

ID:	439361
PubChem CID:	135229134
Reduced:	NO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	2.9
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-5-(2-pyridin-4-ylethyl)pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)O)CC=O

DOS

IR

Vibrations