Geometry & MOs

Info

ID:	173988
PubChem CID:	75709164
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	444.335193
ΔH_f, kcal/mol:	22.11
Dipole, Da:	4.34
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexylamino)-1-oxoheptan-2-yl]-N-hexyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NC(N3C(CC(=C)NC3=N2)O)C4=CC=C(C=C4)C(C)C)C

DOS

IR

Vibrations