Geometry & MOs

Info

ID:	234546
PubChem CID:	92298661
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	360.136159
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	4.35
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-naphthalen-1-yl-2-oxoethyl) 4-(4-methylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

DOS

IR

Vibrations