Geometry & MOs

Info

ID:	229877
PubChem CID:	87569425
Reduced:	ClO3N5C31H42 (1)
Stoich.:	AB3C5D31E42 (1)
Weight, g/mol:	300.23006
ΔH_f, kcal/mol:	-120.01
Dipole, Da:	8.17
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)-3-methylbutanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N3C(CN(C3=O)C[C@H]4CCCO4)C5=CC=CC=C5)C)Cl

DOS

IR

Vibrations