Geometry & MOs

Info

ID:	129880
PubChem CID:	51074131
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-61.97
Dipole, Da:	6.88
IP(EA), eV:	-8.85(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CN=C2N(C1=O)CCS2)C3=CC=CO3

DOS

IR

Vibrations