Geometry & MOs

Info

ID:	425524
PubChem CID:	135126614
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	469.221286
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	3.85
IP(EA), eV:	-8.81(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC1=C2CC3(CCOCC3)C=CC2=NN1)COCC4=CC=CC=C4

DOS

IR

Vibrations