Geometry & MOs

Info

ID:	217403
PubChem CID:	85087765
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	5.68
IP(EA), eV:	-9.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1H-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC12CCCN1C(=O)C3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations