Geometry & MOs

Info

ID:	62273
PubChem CID:	26718853
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	381.088019
ΔH_f, kcal/mol:	31.12
Dipole, Da:	6.8
IP(EA), eV:	-9.77(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,3-benzodioxol-5-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

DOS

IR

Vibrations