Geometry & MOs

Info

ID:	10199
PubChem CID:	98814
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	4.88
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4

DOS

IR

Vibrations