Geometry & MOs

Info

ID:	157481
PubChem CID:	56430469
Reduced:	BrNSO3C17H18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	1.66
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-methylindol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations