Geometry & MOs

Info

ID:	71092
PubChem CID:	48414278
Reduced:	BrO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	389.0375
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenoxy)methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations