Geometry & MOs

Info

ID:	174896
PubChem CID:	75826997
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	5.8
IP(EA), eV:	-9.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(2-pyridin-4-ylazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=NC=C3

DOS

IR

Vibrations