Geometry & MOs

Info

ID:	253367
PubChem CID:	103117992
Reduced:	OSN6C13H16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	312.179755
ΔH_f, kcal/mol:	53.55
Dipole, Da:	5.37
IP(EA), eV:	-8.72(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=S)N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations