Geometry & MOs

Info

ID:	71098
PubChem CID:	48414284
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	389.0375
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	1.75
IP(EA), eV:	-8.78(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)NCC2=C(NN=C2)C)C(C)C

DOS

IR

Vibrations