Geometry & MOs

Info

ID:	80294
PubChem CID:	49833870
Reduced:	O2N4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	4.3
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCCC(C5)C6=CC=CC=C6

DOS

IR

Vibrations