Geometry & MOs

Info

ID:	182535
PubChem CID:	76901575
Reduced:	ClO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	405.14887
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	12.9
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoropyridin-2-yl)methoxy]-1-(2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepin-8-yl)pyridin-2-one

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C(=O)[C@@H]2CC3=CC=CC(=C3)CCC4=C(CC(=O)N2)C5=C(N4)C=CC(=O)N5

DOS

IR

Vibrations