Geometry & MOs

Info

ID:	277255
PubChem CID:	103827508
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	6.21
IP(EA), eV:	-8.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations