Geometry & MOs

Info

ID:	287949
PubChem CID:	104301794
Reduced:	ClOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	-83.23
Dipole, Da:	3.73
IP(EA), eV:	-10.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(=O)O

DOS

IR

Vibrations