Geometry & MOs

Info

ID:	165896
PubChem CID:	74610385
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	456.232088
ΔH_f, kcal/mol:	12.67
Dipole, Da:	4.32
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N(CC1NCCN1C)CC2=NC(=NO2)COC3=CC=CC=C3

DOS

IR

Vibrations