Geometry & MOs

Info

ID:	73409
PubChem CID:	48417638
Reduced:	BrO3N4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	30.72
Dipole, Da:	4.97
IP(EA), eV:	-9.42(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCC2=CC=C(O2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations