Geometry & MOs

Info

ID:	419491
PubChem CID:	135108274
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	318.12628
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	4.38
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations