Geometry & MOs

Info

ID:	424482
PubChem CID:	135122854
Reduced:	N3O6C24H29 (1)
Stoich.:	A3B6C24D29 (1)
Weight, g/mol:	517.330442
ΔH_f, kcal/mol:	-201.11
Dipole, Da:	5.86
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-[(4-methoxyphenyl)methyl]-3-[(2R)-2-methyl-3-phenylmethoxypropyl]spiro[6,8-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCOC(=O)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations