Geometry & MOs

Info

ID:	187862
PubChem CID:	77635685
Reduced:	NO4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	521.361742
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	5.22
IP(EA), eV:	-7.62(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[5-(3,3-dimethylbutylamino)-4-methyl-5-oxo-2-phenylpentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCOCC.CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O

DOS

IR

Vibrations