Geometry & MOs

Info

ID:	342275
PubChem CID:	127265052
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	2.61
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-3-(1-methylindol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)C=CC2=CC(=CS2)Br

DOS

IR

Vibrations