Geometry & MOs

Info

ID:	253254
PubChem CID:	103117143
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	328.17467
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	11.81
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCOC3=C(C=CC=C32)C(=O)O

DOS

IR

Vibrations