Geometry & MOs

Info

ID:	254673
PubChem CID:	103126862
Reduced:	BrSN4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	104.45
Dipole, Da:	1.23
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-cyclopropylethyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC(CC1=C(C=CS1)Br)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations