Geometry & MOs

Info

ID:	354817
PubChem CID:	127287577
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	3.31
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(5-cyclopropyltetrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=NN(C=C2)C3=CC=CC=C3)C4CCCCC4

DOS

IR

Vibrations