Geometry & MOs

Info

ID:	449533
PubChem CID:	135299360
Reduced:	OCl2N2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	3.73
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)C2=CC=CC(=C2)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations