Geometry & MOs

Info

ID:	416152
PubChem CID:	135089160
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	2.23
IP(EA), eV:	-8.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-[3-(triazol-1-yl)propyl]spiro[2.4]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)N

DOS

IR

Vibrations