Geometry & MOs

Info

ID:	379599
PubChem CID:	134448965
Reduced:	OF2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	411.0394
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	2.15
IP(EA), eV:	-8.31(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[6-bromo-5-(2,2-difluoroethoxy)-1H-indole-2-carbonyl]-4-(dimethylamino)but-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(N(C=C1NN)C)OC/C(=C\C=C/CF)/F

DOS

IR

Vibrations