Geometry & MOs

Info

ID:	442721
PubChem CID:	135255934
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	437.136701
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	2.5
IP(EA), eV:	-9.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-methoxyphenyl)-6-[1-[[6-(methoxymethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(C1)(C2=CC=CC(=N2)CO)O

DOS

IR

Vibrations