Geometry & MOs

Info

ID:	75393
PubChem CID:	48423416
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	2.96
IP(EA), eV:	-9.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations