Geometry & MOs

Info

ID:	419711
PubChem CID:	135108797
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	413.340613
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	2.26
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylphenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations