Geometry & MOs

Info

ID:	396771
PubChem CID:	135029176
Reduced:	H6C7 (6)
Stoich.:	A6B7 (6)
Weight, g/mol:	429.136493
ΔH_f, kcal/mol:	91.7
Dipole, Da:	0.82
IP(EA), eV:	-8.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methylnaphthalen-1-yl)naphthalene-2-carbonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=C2C3=C(C(=C4CC5=C(C6=C(C(=C5CC4=C3C)C)C7=C(C=CC8=C7C6=C(C=C8)C)C)C)C)C9=C(C=CC(=C29)C=C1)C

DOS

IR

Vibrations