Geometry & MOs

Info

ID:	45066
PubChem CID:	10507714
Reduced:	N4O7C32H42 (1)
Stoich.:	A4B7C32D42 (1)
Weight, g/mol:	558.309372
ΔH_f, kcal/mol:	-282.38
Dipole, Da:	4.11
IP(EA), eV:	-9.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[methyl-[5-(9-oxoxanthen-3-yl)oxypentyl]amino]methyl]phenyl] N-heptylcarbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations