Geometry & MOs

Info

ID:	374247
PubChem CID:	131325810
Reduced:	NSO3C6H13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	4.4
IP(EA), eV:	-9.61(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1(COC1)CN

DOS

IR

Vibrations