Geometry & MOs

Info

ID:	51778
PubChem CID:	12014517
Reduced:	NO3H17C22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	405.136493
ΔH_f, kcal/mol:	2.38
Dipole, Da:	2.53
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyl-3-naphthalen-2-yl-4H-1,2-oxazol-5-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)C1(CC(=NO1)C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations