Geometry & MOs

Info

ID:	357593
PubChem CID:	127294266
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	4.01
IP(EA), eV:	-8.6(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methylphenyl)tetrazol-2-yl]-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)CC4CCCCN4C

DOS

IR

Vibrations