Geometry & MOs

Info

ID:	293943
PubChem CID:	117418443
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	265.09819
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	3.46
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1C(CNC1C2=CC=CC3=NNC(=C32)Cl)C(=O)O

DOS

IR

Vibrations