Geometry & MOs

Info

ID:	188255
PubChem CID:	77690659
Reduced:	F2N3O4C23H31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	545.207447
ΔH_f, kcal/mol:	-184.74
Dipole, Da:	4.66
IP(EA), eV:	-9.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-[2-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC(=O)C2C3CCC(C2C(=O)OCCC4CCNCC4(F)F)C35CC5

DOS

IR

Vibrations