Geometry & MOs

Info

ID:	374732
PubChem CID:	131342563
Reduced:	NSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	209.095297
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	3.52
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoprop-2-enyl]quinoline-7-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(CSC2)NC1=O

DOS

IR

Vibrations