Geometry & MOs

Info

ID:	156056
PubChem CID:	56368952
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-6.59
Dipole, Da:	6.21
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-2-hydroxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)CC5=CC=CC=C5)O

DOS

IR

Vibrations