Geometry & MOs

Info

ID:	144375
PubChem CID:	53358243
Reduced:	ClFO3N5H25C28 (1)
Stoich.:	ABC3D5E25F28 (1)
Weight, g/mol:	319.103085
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	5.69
IP(EA), eV:	-8.78(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl-(6-propylthieno[2,3-b]pyrrol-4-yl)methanone

Drug info:

PubChemData

Smile

C=CC(=O)N1CCCC(C1)C2=NOC(=C2)C3=CN=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

DOS

IR

Vibrations