Geometry & MOs

Info

ID:	80198
PubChem CID:	49833495
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	-182.3
Dipole, Da:	4.66
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperidin-1-yl)-[7-[4-(1,3-thiazol-2-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(F)(F)F)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=N4)N

DOS

IR

Vibrations