Geometry & MOs

Info

ID:	415272
PubChem CID:	135088264
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	313.145122
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	5.98
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations