Geometry & MOs

Info

ID:	160795
PubChem CID:	57389799
Reduced:	FON7C24H24 (1)
Stoich.:	ABC7D24E24 (1)
Weight, g/mol:	405.171336
ΔH_f, kcal/mol:	90.02
Dipole, Da:	1.03
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(CCN3C=CC(=N3)C4=NC=C(C=C4)F)CC5CC5

DOS

IR

Vibrations