Geometry & MOs

Info

ID:	58930
PubChem CID:	24719926
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	450.16158
ΔH_f, kcal/mol:	-97.35
Dipole, Da:	4.94
IP(EA), eV:	-8.99(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-difluorophenyl)-[4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(C2CCCC2)C(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations