Geometry & MOs

Info

ID:	221712
PubChem CID:	85286066
Reduced:	O2C21H21 (2)
Stoich.:	A2B21C21 (2)
Weight, g/mol:	610.388291
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	4.42
IP(EA), eV:	-9.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(N-benzyl-4-phenylmethoxyanilino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C(C1)C2C3CCCC3C(C2(C4=CC=CC=C4)O)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)CC(=O)C7=CC=CC=C7

DOS

IR

Vibrations