Geometry & MOs

Info

ID:	208353
PubChem CID:	80522742
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	402.96402
ΔH_f, kcal/mol:	49.26
Dipole, Da:	2.92
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-iodophenyl)-4-pyridin-3-ylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=CN=CC=C3)N)C

DOS

IR

Vibrations