Geometry & MOs

Info

ID:	171689
PubChem CID:	75413635
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	383.151288
ΔH_f, kcal/mol:	84.83
Dipole, Da:	4.31
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)NC3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

DOS

IR

Vibrations