Geometry & MOs

Info

ID:	74111
PubChem CID:	48421475
Reduced:	O3N5C16H27 (1)
Stoich.:	A3B5C16D27 (1)
Weight, g/mol:	415.221954
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	3.86
IP(EA), eV:	-8.46(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-[[3-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CNN=C2

DOS

IR

Vibrations