Geometry & MOs

Info

ID:	394589
PubChem CID:	135023263
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	402.274324
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	8.37
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-aminoanilino)-3-[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)(C1=NN=NN1C(C)(C)C)NC2=CC=CC=C2N

DOS

IR

Vibrations