Geometry & MOs

Info

ID:	29394
PubChem CID:	833517
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-25.97
Dipole, Da:	5.96
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(3-methylpyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations