Geometry & MOs

Info

ID:	252827
PubChem CID:	103114387
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	5.63
IP(EA), eV:	-9.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations