Geometry & MOs

Info

ID:	174018
PubChem CID:	75712728
Reduced:	N4O4C27H38 (1)
Stoich.:	A4B4C27D38 (1)
Weight, g/mol:	452.303893
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	7.1
IP(EA), eV:	-8.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-N-hexylpropanamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)N(C)C)C(=O)NCCCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations