Geometry & MOs

Info

ID:	353258
PubChem CID:	127284438
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	363.238273
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	6.52
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-piperidin-1-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N(C)CCN3CCOCC3

DOS

IR

Vibrations