Geometry & MOs

Info

ID:	126928
PubChem CID:	50984624
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	6.7
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4R,6R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-phenyloxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=NC(=N2)CC(C)C)CC3=C(NC(=O)NC3=O)C

DOS

IR

Vibrations