Geometry & MOs

Info

ID:	359728
PubChem CID:	127299110
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-65.33
Dipole, Da:	7.51
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCC(C2)NC3=CC=CC=C3

DOS

IR

Vibrations