Geometry & MOs

Info

ID:	39760
PubChem CID:	8142184
Reduced:	SN3O6H15C18 (1)
Stoich.:	AB3C6D15E18 (1)
Weight, g/mol:	287.224915
ΔH_f, kcal/mol:	-78.56
Dipole, Da:	6.67
IP(EA), eV:	-8.74(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

DOS

IR

Vibrations