Geometry & MOs

Info

ID:	30236
PubChem CID:	840901
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	312.077789
ΔH_f, kcal/mol:	3.51
Dipole, Da:	1.68
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-cyclopropylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C(\C#N)/C(=O)N[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations