Geometry & MOs

Info

ID:	80354
PubChem CID:	49834127
Reduced:	ClN3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	538.199189
ΔH_f, kcal/mol:	14.67
Dipole, Da:	2.13
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CN=C2N1C=CC=C2)N.Cl

DOS

IR

Vibrations