Geometry & MOs

Info

ID:	73240
PubChem CID:	48417256
Reduced:	O2N5H13C15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	317.067952
ΔH_f, kcal/mol:	15.67
Dipole, Da:	10.0
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations