Geometry & MOs

Info

ID:	421336
PubChem CID:	135115797
Reduced:	ClON3C17H26 (1)
Stoich.:	ABC3D17E26 (1)
Weight, g/mol:	330.144038
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	2.81
IP(EA), eV:	-8.48(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN2CCC3(CC2)C=C(CCO3)C)Cl)C

DOS

IR

Vibrations