Geometry & MOs

Info

ID:	144495
PubChem CID:	53378139
Reduced:	ON5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	93.17
Dipole, Da:	1.27
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R,2R)-2-[(3S)-3-aminopyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H]2[C@@H](CC3=CC=CC=C23)N4CC[C@@H](C4)N)N5N=C6C=CC=CC6=N5

DOS

IR

Vibrations