Geometry & MOs

Info

ID:	179132
PubChem CID:	76440437
Reduced:	Cl2N3O4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	3.64
IP(EA), eV:	-9.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)triazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(CN2C1C(=O)NC(C2=O)COCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations