Geometry & MOs

Info

ID:	80239
PubChem CID:	49833685
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	484.227454
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	2.31
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)piperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CF)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC=C(C=C4)C5=NC=CN5

DOS

IR

Vibrations