Geometry & MOs

Info

ID:	340531
PubChem CID:	127262542
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	1.69
IP(EA), eV:	-9.15(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-2-ylmethyl 1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)OC(=O)C2=CC=CN2

DOS

IR

Vibrations