Geometry & MOs

Info

ID:	424359
PubChem CID:	135122381
Reduced:	N4O5C28H38 (1)
Stoich.:	A4B5C28D38 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	10.05
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)butyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations