Geometry & MOs

Info

ID:	196480
PubChem CID:	78836714
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	385.167794
ΔH_f, kcal/mol:	-79.29
Dipole, Da:	2.98
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations