Geometry & MOs

Info

ID:	315150
PubChem CID:	126624615
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	334.149284
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	5.98
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-difluorophenyl)furan-2-yl]-(6-ethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1CNCCN(C1)C(=O)C2=CC=NC=C2

DOS

IR

Vibrations