Geometry & MOs

Info

ID:	364808
PubChem CID:	127316149
Reduced:	OCl2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	336.148078
ΔH_f, kcal/mol:	13.33
Dipole, Da:	4.56
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3CC3C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations