Geometry & MOs

Info

ID:	183975
PubChem CID:	77098370
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	5.11
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-1-methylpiperazin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2=CN=C(N=C2)SCC3=CC=CC=C3)C(=O)NC

DOS

IR

Vibrations