Geometry & MOs

Info

ID:	424483
PubChem CID:	135122857
Reduced:	N3O3C32H43 (1)
Stoich.:	A3B3C32D43 (1)
Weight, g/mol:	517.330442
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	3.89
IP(EA), eV:	-8.67(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(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)CN(C2)CC4=CC=C(C=C4)OC)C(=N1)C[C@@H](C)COCC5=CC=CC=C5

DOS

IR

Vibrations