Geometry & MOs

Info

ID:	421281
PubChem CID:	135115688
Reduced:	N2O2C9H14 (2)
Stoich.:	A2B2C9D14 (2)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-170.7
Dipole, Da:	2.94
IP(EA), eV:	-9.24(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-1-hydroxyethyl]phenol

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations