Geometry & MOs

Info

ID:	80404
PubChem CID:	49834310
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	1.27
IP(EA), eV:	-9.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC(=O)C[C@H]1C2=CC=C(C=C2)C(=O)NCCC(=O)N

DOS

IR

Vibrations