Geometry & MOs

Info

ID:	372286
PubChem CID:	131295516
Reduced:	ClFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	220.076726
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	2.11
IP(EA), eV:	-9.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(7-chloro-2,3-dihydro-1H-inden-5-yl)propanenitrile

Drug info:

PubChemData

Smile

C1C[C@](C2=C1C(=C(C=C2)Cl)F)(CO)N

DOS

IR

Vibrations