Geometry & MOs

Info

ID:	146035
PubChem CID:	53626165
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	5.42
IP(EA), eV:	-8.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CC2C(=O)NC3=CC(=C(C=C3)OC)OC4CCCC4

DOS

IR

Vibrations