Geometry & MOs

Info

ID:	184505
PubChem CID:	77170616
Reduced:	O2F3N7H22C23 (1)
Stoich.:	A2B3C7D22E23 (1)
Weight, g/mol:	790.564859
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	4.85
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N'-bis(2-hydroxy-1-naphthalen-1-yl-2-pentylheptyl)cyclohexane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)N2C=NC3=CN=C4C=CC(=NC4=C32)C5=CC(=C(N=C5)N)C(F)(F)F)O

DOS

IR

Vibrations