Geometry & MOs

Info

ID:	423116
PubChem CID:	135118963
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	4.69
IP(EA), eV:	-9.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4CCOCC4

DOS

IR

Vibrations