Geometry & MOs

Info

ID:	438647
PubChem CID:	135228392
Reduced:	O4N5C18H29 (1)
Stoich.:	A4B5C18D29 (1)
Weight, g/mol:	473.42328
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	0.49
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(decan-5-ylamino)phenyl]methyl 2-hexyloctanoate

Drug info:

PubChemData

Smile

CCC(=O)[C@@H](CN1C=C(N=N1)CCC(=O)N[C@@H](C)C(=O)C(C)C)NC(=O)C

DOS

IR

Vibrations