Geometry & MOs

Info

ID:	126221
PubChem CID:	50955751
Reduced:	SN6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	364.152685
ΔH_f, kcal/mol:	79.91
Dipole, Da:	1.88
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminotetrazol-1-yl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCCSC2=NNN=C2)C

DOS

IR

Vibrations