Geometry & MOs

Info

ID:	160649
PubChem CID:	57389317
Reduced:	OF2N6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	435.181901
ΔH_f, kcal/mol:	8.44
Dipole, Da:	6.03
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=C(C=C3)F)C4=NC=CC=N4

DOS

IR

Vibrations