Geometry & MOs

Info

ID:	396332
PubChem CID:	135028071
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-125.66
Dipole, Da:	4.12
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-(1-prop-2-enylpyrrolidin-2-yl)-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC/C=C\1/CC(=C/C1=C/COC)C(=O)OC

DOS

IR

Vibrations