Geometry & MOs

Info

ID:	424354
PubChem CID:	135122329
Reduced:	N4O6C29H38 (1)
Stoich.:	A4B6C29D38 (1)
Weight, g/mol:	538.279135
ΔH_f, kcal/mol:	-220.2
Dipole, Da:	5.14
IP(EA), eV:	-9.54(-1.17)
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-(morpholine-4-carbonyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@@H](C)COC(=O)C4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations