Geometry & MOs

Info

ID:	426820
PubChem CID:	135154063
Reduced:	O3N7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	191.985718
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	8.92
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dichloro-5-methylpyrimidin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCCN4C=CN=C4

DOS

IR

Vibrations