Geometry & MOs

Info

ID:	357381
PubChem CID:	127294014
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	4.59
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3=CC(=NC=C3)N4CCCCCC4

DOS

IR

Vibrations