Geometry & MOs

Info

ID:	82854
PubChem CID:	49856676
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	423.194677
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	2.77
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-benzyl-5-methyl-3-naphthalen-2-yl-3H-1,2-oxazol-4-yl]-(3,5-dimethylpyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=CC=C4)C1)N

DOS

IR

Vibrations