Geometry & MOs

Info

ID:	30356
PubChem CID:	841187
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	1.43
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)N3C=CC=N3)Cl

DOS

IR

Vibrations