Geometry & MOs

Info

ID:	220297
PubChem CID:	85177270
Reduced:	ClNH14C15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	242.996617
ΔH_f, kcal/mol:	26.01
Dipole, Da:	4.11
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2,4-dichlorophenyl)-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

C1CC2CC1CC3=C2C4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations