Geometry & MOs

Info

ID:	126809
PubChem CID:	50979789
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	4.17
IP(EA), eV:	-8.27(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OC)CC=C)C2CC(=O)NC3=CC(=C(C=C23)OC)O

DOS

IR

Vibrations