Geometry & MOs

Info

ID:	349158
PubChem CID:	127274884
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	3.47
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1NC(=O)C2CCN(C(=O)C2)C)OC3=CN=CC=C3)C

DOS

IR

Vibrations