Geometry & MOs

Info

ID:	244561
PubChem CID:	99364976
Reduced:	IN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-21.59
Dipole, Da:	6.08
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C1=C(ON=C1C)C)C(=O)NC2=C(C=C(C=C2)I)C

DOS

IR

Vibrations