Geometry & MOs

Info

ID:	179262
PubChem CID:	76457964
Reduced:	O3C48H82 (1)
Stoich.:	A3B48C82 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-266.1
Dipole, Da:	6.13
IP(EA), eV:	-9.16(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxo-1-phenylethyl)-3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCC(CC)C1(CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C)O

DOS

IR

Vibrations