Geometry & MOs

Info

ID:	80292
PubChem CID:	49833859
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	6.19
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-4-methylpiperidin-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)N5CCCCCC5

DOS

IR

Vibrations