Geometry & MOs

Info

ID:	371773
PubChem CID:	131271603
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	229.061804
ΔH_f, kcal/mol:	-104.42
Dipole, Da:	2.46
IP(EA), eV:	-9.89(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-chloro-3-nitropyridin-2-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C2=C(C(=O)N1)SC=C2C(=O)O

DOS

IR

Vibrations