Geometry & MOs

Info

ID:	362181
PubChem CID:	127305904
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	5.23
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undecan-2-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCCN(C2)C(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations