Geometry & MOs

Info

ID:	335565
PubChem CID:	127254427
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	6.04
IP(EA), eV:	-8.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC2=C(C=CC=C21)NC(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations