Geometry & MOs

Info

ID:	362610
PubChem CID:	127308872
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	4.96
IP(EA), eV:	-8.95(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)N3CCN4C(=NN=C4C5CC5)C3)(C)C

DOS

IR

Vibrations