Geometry & MOs

Info

ID:	415886
PubChem CID:	135088888
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	381.237604
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	1.78
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NO1)CN(C)C(=O)CCCN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations