Geometry & MOs

Info

ID:	68263
PubChem CID:	46508077
Reduced:	ClSN2F3O3H8C15 (1)
Stoich.:	ABC2D3E3F8G15 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	-159.19
Dipole, Da:	2.13
IP(EA), eV:	-9.78(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrazol-1-ylmethyl)-N-quinolin-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=N2)COC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations