Geometry & MOs

Info

ID:	423084
PubChem CID:	135118907
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	280.144787
ΔH_f, kcal/mol:	19.05
Dipole, Da:	4.86
IP(EA), eV:	-8.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)CCNC(=O)C2=CC(=CC=C2)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations