Geometry & MOs

Info

ID:	329379
PubChem CID:	126735790
Reduced:	O3N7C17H19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	8.75
Dipole, Da:	3.85
IP(EA), eV:	-8.28(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfonyl-4-methylphenyl)-spiro[2.3]hexan-2-ylmethanamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C=O)C(=O)NC2=CN3C(=NC(=N3)N4CCC(C4)OC)C=C2

DOS

IR

Vibrations