Geometry & MOs

Info

ID:	318122
PubChem CID:	126649044
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	160.067034
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	5.57
IP(EA), eV:	-9.38(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C2=C3C(=CC(=C2)C#N)OC=N3)O

DOS

IR

Vibrations