Geometry & MOs

Info

ID:	171738
PubChem CID:	75419603
Reduced:	Cl2O2N5H11C13 (1)
Stoich.:	A2B2C5D11E13 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	22.74
Dipole, Da:	3.09
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)C2CC(=NO2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations