Geometry & MOs

Info

ID:	418957
PubChem CID:	135107220
Reduced:	ON5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	373.261694
ΔH_f, kcal/mol:	41.35
Dipole, Da:	6.95
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxy-3-methylphenyl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NC3CCN(CC3)CC4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations