Geometry & MOs

Info

ID:	126049
PubChem CID:	50949884
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	288.181093
ΔH_f, kcal/mol:	-115.08
Dipole, Da:	7.69
IP(EA), eV:	-9.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperidin-1-yl-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2C3=NC(=NO3)CCOC)C

DOS

IR

Vibrations