Geometry & MOs

Info

ID:	73354
PubChem CID:	48417502
Reduced:	O2N7H11C14 (1)
Stoich.:	A2B7C11D14 (1)
Weight, g/mol:	325.117489
ΔH_f, kcal/mol:	91.76
Dipole, Da:	4.41
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NOC(=N2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations