Geometry & MOs

Info

ID:	130823
PubChem CID:	51114994
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	2.53
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(O1)C(=O)N2CCCC2C3=NN=C4N3CCCCC4

DOS

IR

Vibrations