Geometry & MOs

Info

ID:	375486
PubChem CID:	131529899
Reduced:	Cl2N2O2C9H10 (1)
Stoich.:	A2B2C2D9E10 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-75.83
Dipole, Da:	6.46
IP(EA), eV:	-9.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)butanenitrile

Drug info:

PubChemData

Smile

C[C@@](CC(=O)O)(C1=CC(=C(N=C1)Cl)Cl)N

DOS

IR

Vibrations