Geometry & MOs

Info

ID:	424443
PubChem CID:	135122701
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	3.51
IP(EA), eV:	-9.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(4-hydroxybutyl)spiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC[C@@H](C)C(C)NC(=O)O

DOS

IR

Vibrations