Geometry & MOs

Info

ID:	424384
PubChem CID:	135122485
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	496.26857
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	2.81
IP(EA), eV:	-9.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2,2-dimethylpropyl] 4-(methylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCOC(=O)C(C)C

DOS

IR

Vibrations