Geometry & MOs

Info

ID:	255593
PubChem CID:	103133246
Reduced:	ON3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	235.05124
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	3.95
IP(EA), eV:	-9.32(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=NN(C=C1)C)N

DOS

IR

Vibrations