Geometry & MOs

Info

ID:	180668
PubChem CID:	76665673
Reduced:	ClO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	416.037771
ΔH_f, kcal/mol:	41.73
Dipole, Da:	4.34
IP(EA), eV:	-8.76(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopyridin-4-yl)-4-(2,4-dichlorophenyl)-5-(triazolidin-4-yl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=C(C3=CC=NC(=O)C3C(=N2)NC4=CC=C(C=C4)C5CCNCC5)Cl

DOS

IR

Vibrations