Geometry & MOs

Info

ID:	147090
PubChem CID:	53786743
Reduced:	ClO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	367.262363
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	3.55
IP(EA), eV:	-8.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(diethylamino)ethyl]-3-phenylpiperazin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C(=C1C3=CC[C@@H](CC3)C4=CC=C(C=C4)Cl)O)O

DOS

IR

Vibrations