Geometry & MOs

Info

ID:	440749
PubChem CID:	135231286
Reduced:	OSN5C26H33 (1)
Stoich.:	ABC5D26E33 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	31.87
Dipole, Da:	1.44
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclobutylmethyl)-2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)N(C)C(CC(C)(C)C3=CSC(=N3)C4=CC=NC=C4)CO

DOS

IR

Vibrations