Geometry & MOs

Info

ID:	423347
PubChem CID:	135119340
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	-115.86
Dipole, Da:	3.71
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCOC[C@H]1NC(=O)CCC2=CSC=C2

DOS

IR

Vibrations