Geometry & MOs

Info

ID:	73017
PubChem CID:	48416809
Reduced:	ON7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	230.080376
ΔH_f, kcal/mol:	96.83
Dipole, Da:	5.12
IP(EA), eV:	-9.4(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(furan-2-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations