Geometry & MOs

Info

ID:	123632
PubChem CID:	50857156
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	371.06332
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	6.68
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-bromophenyl)-2-cyano-3-(5-methyl-1-propan-2-ylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)NC(=O)/C(=C/C2=CN(C(=C2)C)C(C)C)/C#N

DOS

IR

Vibrations