Geometry & MOs

Info

ID:	415213
PubChem CID:	135088205
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	19.18
Dipole, Da:	6.18
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations