Geometry & MOs

Info

ID:	368862
PubChem CID:	127330832
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	7.09
IP(EA), eV:	-9.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations