Geometry & MOs

Info

ID:	131198
PubChem CID:	51173522
Reduced:	OSN6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	348.146537
ΔH_f, kcal/mol:	114.69
Dipole, Da:	0.78
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C

DOS

IR

Vibrations