Geometry & MOs

Info

ID:	73410
PubChem CID:	48417642
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	386.00145
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	3.42
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)N2C(=C(C=N2)C#N)N)C(C)C

DOS

IR

Vibrations