Geometry & MOs

Info

ID:	424417
PubChem CID:	135122614
Reduced:	N4O6C49H72 (1)
Stoich.:	A4B6C49D72 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-309.34
Dipole, Da:	2.02
IP(EA), eV:	-8.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,4,6,7-tetrahydropyrazolo[3,4-c]azepine-5,4'-oxane]-8-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC(=C(C=C2)C)NC(=O)NC(CC3=CC=CC=C3)C(=O)OCCCCCCCCCCC

DOS

IR

Vibrations