Geometry & MOs

Info

ID:	156064
PubChem CID:	56368981
Reduced:	BrN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	2.06
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)N(C)CC(C)C(=O)OC

DOS

IR

Vibrations