Geometry & MOs

Info

ID:	130611
PubChem CID:	51091669
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	23.26
Dipole, Da:	5.02
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NC3=C(N4C=CC=CC4=N3)[N+](=O)[O-])O

DOS

IR

Vibrations