Geometry & MOs

Info

ID:	425207
PubChem CID:	135125522
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	1.18
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-cyclopropyloxyphenyl)-1H-pyrazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC=CC=C4C(=O)OC

DOS

IR

Vibrations