Geometry & MOs

Info

ID:	414288
PubChem CID:	135087244
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	252.113487
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	5.88
IP(EA), eV:	-8.92(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2C=CC=N2)CN(C)C3C[C@@H]4CC(C[C@@H]4C3)O)C

DOS

IR

Vibrations