Geometry & MOs

Info

ID:	38275
PubChem CID:	8028847
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	2.94
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-imidazol-1-ylpropyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NC3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations