Geometry & MOs

Info

ID:	335964
PubChem CID:	127254971
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	5.18
IP(EA), eV:	-8.65(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-imidazol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3CCCO3

DOS

IR

Vibrations