Geometry & MOs

Info

ID:	423790
PubChem CID:	135120224
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	5.18
IP(EA), eV:	-9.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CCC1N)N2C=C(N=N2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations