Geometry & MOs

Info

ID:	424407
PubChem CID:	135122579
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	675.326813
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	6.86
IP(EA), eV:	-9.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylcarbamoyl)benzoic acid;4-(1-ethyl-8-oxospiro[6,7-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]-3-yl)butyl 4-(methylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)CC3(C2)CCOCC3)CCCCO

DOS

IR

Vibrations