Geometry & MOs

Info

ID:	297014
PubChem CID:	117605804
Reduced:	F3O4N5H20C23 (1)
Stoich.:	A3B4C5D20E23 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-236.1
Dipole, Da:	7.86
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C(=O)O)C2=CC3=C(C4=C(C=NN4C5CCCCO5)C(=O)N3CC(F)(F)F)N=C2

DOS

IR

Vibrations