Geometry & MOs

Info

ID:	132035
PubChem CID:	51296280
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	329.124964
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	4.51
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations