Geometry & MOs

Info

ID:	373686
PubChem CID:	131318779
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(7-hydroxynaphthalen-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(CC2=CC(=CC=C2)O)O

DOS

IR

Vibrations