Geometry & MOs

Info

ID:	171291
PubChem CID:	75353752
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	393.118084
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	3.26
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-4H-pyridin-3-ylidene)-ethoxymethanolate;morpholin-4-ium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C=CC3=CC=CC=C3OC

DOS

IR

Vibrations